G857-0842 Screening compound: ethyl 4-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate

G857-0842 Screening compound: ethyl 4-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
G857-0842 Screening compound: ethyl 4-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-0842
ethyl 4-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G857-0842

Molecular Formula

C18H21N3O4S (C18 H21 N3 O4 S)

Compound Name

ethyl 4-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-({[(35-dimethylphenyl)carbamoyl]methyl}sulfanyl)-6-methyl-2-oxo-12-dihydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(SCC(Nc1cc(C)cc(C)c1)=O)=N1)=C(C)NC1=O)=O

InChI

InChI=1S/C18H21N3O4S/c1-5-25-17(23)15-12(4)19-18(24)21-16(15)26-9-14(22)20-13-7-10(2)6-11(3)8-13/h6-8H,5,9H2,1-4H3,(H,20,22)(H,19,21,24)

InChI Key

NZQOJWCPECUGFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07654215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.440

Distribution Coefficient, logD

-0.829

Water Solubility, LogSw

-2.69

Polar Surface Area

75.975

Acid Dissociation Constant (pKa)

4.13

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with G857-0842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-0842?
Check Price and Availability of G857-0842, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G857-0842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-0842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-0842
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G857-0842 available by request